1-(4-ethoxyphenyl)-3-(4-ethylphenyl)propane-1,3-dione

C19H20O3 — CID 18428768

IUPAC1-(4-ethoxyphenyl)-3-(4-ethylphenyl)propane-1,3-dione
SMILESCCOc1ccc(C(=O)CC(=O)c2ccc(CC)cc2)cc1
InChIInChI=1S/C19H20O3/c1-3-14-5-7-15(8-6-14)18(20)13-19(21)16-9-11-17(12-10-16)22-4-2/h5-12H,3-4,13H2,1-2H3
InChIKeyHRECELXFAZDMHO-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.10
Rot. Bonds7

About 1-(4-ethoxyphenyl)-3-(4-ethylphenyl)propane-1,3-dione

1-(4-ethoxyphenyl)-3-(4-ethylphenyl)propane-1,3-dione (PubChem CID 18428768) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(4-ethylphenyl)propane-1,3-dione.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(4-ethylphenyl)propane-1,3-dione
PubChem CID18428768
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name1-(4-ethoxyphenyl)-3-(4-ethylphenyl)propane-1,3-dione
SMILESCCOc1ccc(C(=O)CC(=O)c2ccc(CC)cc2)cc1
InChIInChI=1S/C19H20O3/c1-3-14-5-7-15(8-6-14)18(20)13-19(21)16-9-11-17(12-10-16)22-4-2/h5-12H,3-4,13H2,1-2H3
InChIKeyHRECELXFAZDMHO-UHFFFAOYSA-N
XLogP4.10
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethoxyphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 18428766
1-(4-ethylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
CID 18428800
N'-[2-(4-ethoxyphenyl)acetyl]-4-ethylbenzohydrazide
CID 78780592
methyl 4-(4-ethoxyphenyl)-2,4-dioxobutanoate
CID 3803733
1-(4-ethoxyphenyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 115786182
2-(3-ethoxyphenoxy)-1-(4-ethylphenyl)ethanone
CID 62338272
1-(4-ethoxyphenyl)-3-(methylamino)propan-1-one
CID 3072558
1-(4-ethylphenyl)-3-phenoxypropan-1-one
CID 62545024
1,8-bis(4-ethoxyphenyl)octane-1,8-dione
CID 3098381
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
4-[(4-ethoxyphenyl)methyl]benzoic acid
CID 116927188
2-(4-ethoxyphenyl)-1-[4-[2-(4-ethylphenyl)-2-oxoethyl]piperazin-1-yl]ethanone
CID 110366779

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(4-ethylphenyl)propane-1,3-dione?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(4-ethylphenyl)propane-1,3-dione (CID 18428768) is 1-(4-ethoxyphenyl)-3-(4-ethylphenyl)propane-1,3-dione.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(4-ethylphenyl)propane-1,3-dione?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(4-ethylphenyl)propane-1,3-dione is CCOc1ccc(C(=O)CC(=O)c2ccc(CC)cc2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(4-ethylphenyl)propane-1,3-dione?
The InChIKey is HRECELXFAZDMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-3-14-5-7-15(8-6-14)18(20)13-19(21)16-9-11-17(12-10-16)22-4-2/h5-12H,3-4,13H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-3-(4-ethylphenyl)propane-1,3-dione?
1-(4-ethoxyphenyl)-3-(4-ethylphenyl)propane-1,3-dione has a molecular weight of 296.37 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(4-ethylphenyl)propane-1,3-dione is sourced from PubChem (CID 18428768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).